N-(2-chlorophenyl)-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide

Systemtic Name: N-(2-chlorophenyl)-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide Openeye Name: N-(2-chlorophenyl)-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide CAS Name: N-(2-chlorophenyl)-4-(2-pyridin-1-iumyl)-1-piperazinecarbothioamide IUPAC Name: N-(2-chlorophenyl)-4-pyridin-1-ium-2-ylpiperazine-1-carbothioamide Traditional Name: N-(2-chlorophenyl)-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide Formula: C16H18ClN4S+ MolecularWeight: 333.85892

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=S)NC3=CC=CC=C3Cl

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=S)NC3=CC=CC=C3Cl

InChI

InChI=1S/C16H17ClN4S/c17-13-5-1-2-6-14(13)19-16(22)21-11-9-20(10-12-21)15-7-3-4-8-18-15/h1-8H,9-12H2,(H,19,22)/p+1